N,N-Diethylacetoacetamide - CAS 2235-46-3
Catalog: |
BB017553 |
Product Name: |
N,N-Diethylacetoacetamide |
CAS: |
2235-46-3 |
Synonyms: |
N,N-diethyl-3-oxobutanamide |
IUPAC Name: | N,N-diethyl-3-oxobutanamide |
Description: | N,N-Diethylacetoacetamide (CAS# 2235-46-3) is an intermediate in the synthesis of Phosphamidon (E/Z mixture) (P353730), an organophosphate insecticide that acts as a cholinesterase inhibitor. |
Molecular Weight: | 157.21 |
Molecular Formula: | C8H15NO2 |
Canonical SMILES: | CCN(CC)C(=O)CC(=O)C |
InChI: | InChI=1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3 |
InChI Key: | NTMXFHGYWJIAAE-UHFFFAOYSA-N |
Boiling Point: | 85-87 ℃ (1 mmHg) |
Melting Point: | FREEZING POINT: -70 °C |
Flash Point: | 121 °C |
Purity: | 97 % |
Density: | 0.994 g/cm3 |
Solubility: | 10 g/L (water) |
Appearance: | Yellow |
MDL: | MFCD00026728 |
LogP: | 0.83390 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.110278721 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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